2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide

C23H26N2O5 — CID 175656938

IUPAC2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1CC[C@H](O)[C@]3(CCCO3)C1)oc1ccccc12
InChIInChI=1S/C23H26N2O5/c1-28-20-11-16-15-5-2-3-6-18(15)30-19(16)12-17(20)24-22(27)13-25-9-7-21(26)23(14-25)8-4-10-29-23/h2-3,5-6,11-12,21,26H,4,7-10,13-14H2,1H3,(H,24,27)/t21-,23-/m0/s1
InChIKeyGGHKHZIYIGYRNI-GMAHTHKFSA-N
MW410.47 g/mol
LogP3.15
Rot. Bonds4

About 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide

2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide (PubChem CID 175656938) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
PubChem CID175656938
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1CC[C@H](O)[C@]3(CCCO3)C1)oc1ccccc12
InChIInChI=1S/C23H26N2O5/c1-28-20-11-16-15-5-2-3-6-18(15)30-19(16)12-17(20)24-22(27)13-25-9-7-21(26)23(14-25)8-4-10-29-23/h2-3,5-6,11-12,21,26H,4,7-10,13-14H2,1H3,(H,24,27)/t21-,23-/m0/s1
InChIKeyGGHKHZIYIGYRNI-GMAHTHKFSA-N
XLogP3.15
TPSA84.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
N-(2-methoxydibenzofuran-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824461
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide
CID 124982967
N-(2-methoxy-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002684
N-(2-methoxy-5-methylphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002685
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46402836
ethyl 1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 3532935
ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 7745268
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2711778
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791
2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 110167176

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The IUPAC name of 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide (CID 175656938) is 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide.
What is the SMILES notation for 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The canonical SMILES for 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide is COc1cc2c(cc1NC(=O)CN1CC[C@H](O)[C@]3(CCCO3)C1)oc1ccccc12.
What is the InChIKey of 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The InChIKey is GGHKHZIYIGYRNI-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-20-11-16-15-5-2-3-6-18(15)30-19(16)12-17(20)24-22(27)13-25-9-7-21(26)23(14-25)8-4-10-29-23/h2-3,5-6,11-12,21,26H,4,7-10,13-14H2,1H3,(H,24,27)/t21-,23-/m0/s1.
What are the key properties of 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide has a molecular weight of 410.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide is sourced from PubChem (CID 175656938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).